SCHEMBL3220878

SCHEMBL3220878

CCN(CC)c1ccc(C=O)c(OCc2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
BACE1 P56817 1/20 0.48
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
CA9 Q16790 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
GRM2 Q14416 3/20 0.40
CYP3A4 P08684 1/20 0.40
PTPN1 P18031 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PSEN1 P49768 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3200550 0.85 ALDH1A1 (0.63) ALDH1A1L3MBTL1BACE1CA9NPSR1
SCHEMBL3206103 0.80 BACE1 (0.80) ALDH1A1BACE1NPSR1LMNAMAPK1
SCHEMBL3206113 0.80 BACE1 (0.80) ALDH1A1BACE1NPSR1LMNAMAPK1
SCHEMBL6438701 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1BACE1KEAP1NFE2L2
SCHEMBL15474765 0.79 ALDH1A1 (0.61) ALDH1A1L3MBTL1BACE1CA9NR1H2
SCHEMBL3218793 0.78 ALDH1A1 (0.68) ALDH1A1L3MBTL1BACE1KEAP1NFE2L2
SCHEMBL15065176 0.77 HTR1A (0.50) ALDH1A1HTR1ADRD2LMNAIKBKB
SCHEMBL8501851 0.77 HTR1A (0.57) ALDH1A1L3MBTL1HTR1ADRD2LMNA
SCHEMBL5146907 0.77 ALDH1A1 (0.74) ALDH1A1L3MBTL1BACE1CA9NPSR1
SCHEMBL3200647 0.76 ALDH1A1 (0.58) ALDH1A1L3MBTL1BACE1CA9NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 253/4885L3MBTL1 2164/4885BACE1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.